EINECS 245-351-2
TL;DR: EINECS 245-351-2 (CAS 22957-48-8) is a chemical compound with molecular formula C21H32N2O and molecular weight 328.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,17,18-trimethyl-8,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-4,6-dien-17-ol
Also Known As: 5a,7a,8-trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol
| Molecular Formula | C21H32N2O |
|---|---|
| Molecular Weight | 328.25 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.25146 |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 22957-48-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C)O)CCC4C3(CC=C5N4NC=C5)C |
| InChIKey | QBCSWYQAQBHPRM-UHFFFAOYSA-N |
Product Overview
EINECS 245-351-2 (CAS 22957-48-8), with molecular formula C21H32N2O and molecular weight 328.25 g/mol. IUPAC: 2,17,18-trimethyl-8,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-4,6-dien-17-ol.
Chemical Property Profile of EINECS 245-351-2
Property Insights of EINECS 245-351-2
The XLogP value of 4.8 indicates that EINECS 245-351-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, EINECS 245-351-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 245-351-2 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 245-351-2?
The CAS number of EINECS 245-351-2 is 22957-48-8.
What is the molecular formula of EINECS 245-351-2?
The molecular formula of EINECS 245-351-2 is C21H32N2O.
What is the molecular weight of EINECS 245-351-2?
The molecular weight of EINECS 245-351-2 is 328.25 g/mol.
Where can I buy EINECS 245-351-2?
You can request a quote for EINECS 245-351-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 245-351-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 245-351-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.